LAMMPS (3 Nov 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# Si fcc phase

units           metal
boundary        p p p

atom_style      atomic
lattice         sc 2.612
Lattice spacing in x,y,z = 2.612 2.612 2.612
region          box block 0 1 0 1 0 1
create_box              1 box
Created orthogonal box = (0 0 0) to (2.612 2.612 2.612)
  1 by 2 by 2 MPI processor grid
create_atoms    1 box
Created 1 atoms
  using lattice units in orthogonal box = (0 0 0) to (2.612 2.612 2.612)
  create_atoms CPU = 0.000 seconds

pair_style      meam/sw/spline
pair_coeff      * * Si.b.meam.sw.spline Si
Reading meam/sw/spline potential file Si.b.meam.sw.spline with DATE: 2012-10-26
mass            * 28.085

fix                     relax all box/relax aniso 0
thermo          1
minimize        0 0 10000 100000
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.4
  ghost atom cutoff = 6.4
  binsize = 3.2, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/sw/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/sw/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:966)
Per MPI rank memory allocation (min/avg/max) = 4.899 | 4.899 | 4.899 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
         0   0             -4.3368757      0             -4.3368757     -41.869135      17.820485    
         1   0             -4.3368757      0             -4.3368757     -0.0064151392   17.820115    
         2   0             -4.3368757      0             -4.3368757     -1.5832709e-09  17.820115    
         3   0             -4.3368757      0             -4.3368757      3.3909505e-10  17.820115    
         4   0             -4.3368757      0             -4.3368757      3.2578595e-10  17.820115    
         5   0             -4.3368757      0             -4.3368757     -1.9080803e-10  17.820115    
         6   0             -4.3368757      0             -4.3368757      3.3909495e-10  17.820115    
         7   0             -4.3368757      0             -4.3368757     -1.9079854e-10  17.820115    
         8   0             -4.3368757      0             -4.3368757     -1.9079854e-10  17.820115    
         9   0             -4.3368757      0             -4.3368757      1.0118722e-10  17.820115    
        10   0             -4.3368757      0             -4.3368757     -2.3072585e-10  17.820115    
        11   0             -4.3368757      0             -4.3368757      3.5240418e-10  17.820115    
        12   0             -4.3368757      0             -4.3368757     -1.6419005e-10  17.820115    
        13   0             -4.3368757      0             -4.3368757     -1.6419005e-10  17.820115    
        14   0             -4.3368757      0             -4.3368757      1.1449508e-10  17.820115    
        15   0             -4.3368757      0             -4.3368757     -1.9080803e-10  17.820115    
        16   0             -4.3368757      0             -4.3368757      3.7902891e-10  17.820115    
        17   0             -4.3368757      0             -4.3368757     -5.5015387e-10  17.820115    
        18   0             -4.3368757      0             -4.3368757      3.7902891e-10  17.820115    
        19   0             -4.3368757      0             -4.3368757     -1.9080803e-10  17.820115    
        20   0             -4.3368757      0             -4.3368757      3.9233792e-10  17.820115    
        21   0             -4.3368757      0             -4.3368757     -5.3684477e-10  17.820115    
        22   0             -4.3368757      0             -4.3368757      3.7902891e-10  17.820115    
        23   0             -4.3368757      0             -4.3368757     -5.3684477e-10  17.820115    
        24   0             -4.3368757      0             -4.3368757      3.5241068e-10  17.820115    
        25   0             -4.3368757      0             -4.3368757      1.1448328e-10  17.820115    
        26   0             -4.3368757      0             -4.3368757     -5.5015387e-10  17.820115    
        27   0             -4.3368757      0             -4.3368757      3.5240418e-10  17.820115    
        28   0             -4.3368757      0             -4.3368757      1.0118725e-10  17.820115    
        29   0             -4.3368757      0             -4.3368757     -5.3684477e-10  17.820115    
        30   0             -4.3368757      0             -4.3368757      3.6571981e-10  17.820115    
        31   0             -4.3368757      0             -4.3368757      1.2779228e-10  17.820115    
        32   0             -4.3368757      0             -4.3368757     -5.5015387e-10  17.820115    
        33   0             -4.3368757      0             -4.3368757      3.7902891e-10  17.820115    
        34   0             -4.3368757      0             -4.3368757     -5.5015387e-10  17.820115    
        35   0             -4.3368757      0             -4.3368757      3.7902891e-10  17.820115    
        36   0             -4.3368757      0             -4.3368757     -2.0411714e-10  17.820115    
        37   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        38   0             -4.3368757      0             -4.3368757     -5.5015387e-10  17.820115    
        39   0             -4.3368757      0             -4.3368757      3.7902891e-10  17.820115    
        40   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
        41   0             -4.3368757      0             -4.3368757     -5.5015387e-10  17.820115    
        42   0             -4.3368757      0             -4.3368757      3.6571981e-10  17.820115    
        43   0             -4.3368757      0             -4.3368757     -5.6346277e-10  17.820115    
        44   0             -4.3368757      0             -4.3368757      3.6571981e-10  17.820115    
        45   0             -4.3368757      0             -4.3368757      1.0117418e-10  17.820115    
        46   0             -4.3368757      0             -4.3368757     -2.307128e-10   17.820115    
        47   0             -4.3368757      0             -4.3368757      1.0117418e-10  17.820115    
        48   0             -4.3368757      0             -4.3368757      1.0118725e-10  17.820115    
        49   0             -4.3368757      0             -4.3368757      1.0118725e-10  17.820115    
        50   0             -4.3368757      0             -4.3368757     -2.0410764e-10  17.820115    
        51   0             -4.3368757      0             -4.3368757      1.0118725e-10  17.820115    
        52   0             -4.3368757      0             -4.3368757     -2.0410764e-10  17.820115    
        53   0             -4.3368757      0             -4.3368757      1.0117418e-10  17.820115    
        54   0             -4.3368757      0             -4.3368757     -2.307128e-10   17.820115    
        55   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        56   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        57   0             -4.3368757      0             -4.3368757     -2.1742624e-10  17.820115    
        58   0             -4.3368757      0             -4.3368757      3.6571981e-10  17.820115    
        59   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
        60   0             -4.3368757      0             -4.3368757      1.0118725e-10  17.820115    
        61   0             -4.3368757      0             -4.3368757      7.4555968e-11  17.820115    
        62   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
        63   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
        64   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        65   0             -4.3368757      0             -4.3368757     -2.1742624e-10  17.820115    
        66   0             -4.3368757      0             -4.3368757      3.6571971e-10  17.820115    
        67   0             -4.3368757      0             -4.3368757     -5.6346298e-10  17.820115    
        68   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        69   0             -4.3368757      0             -4.3368757      1.1450156e-10  17.820115    
        70   0             -4.3368757      0             -4.3368757     -2.3073534e-10  17.820115    
        71   0             -4.3368757      0             -4.3368757      1.0117407e-10  17.820115    
        72   0             -4.3368757      0             -4.3368757     -2.4402191e-10  17.820115    
        73   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        74   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        75   0             -4.3368757      0             -4.3368757     -5.6346298e-10  17.820115    
        76   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        77   0             -4.3368757      0             -4.3368757      8.7865072e-11  17.820115    
        78   0             -4.3368757      0             -4.3368757     -2.4402191e-10  17.820115    
        79   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
        80   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
        81   0             -4.3368757      0             -4.3368757     -1.9080826e-10  17.820115    
        82   0             -4.3368757      0             -4.3368757      1.0119245e-10  17.820115    
        83   0             -4.3368757      0             -4.3368757     -2.1742624e-10  17.820115    
        84   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
        85   0             -4.3368757      0             -4.3368757     -5.6346298e-10  17.820115    
        86   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        87   0             -4.3368757      0             -4.3368757      8.7865072e-11  17.820115    
        88   0             -4.3368757      0             -4.3368757     -5.7677208e-10  17.820115    
        89   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        90   0             -4.3368757      0             -4.3368757      3.257925e-10   17.820115    
        91   0             -4.3368757      0             -4.3368757     -5.7677208e-10  17.820115    
        92   0             -4.3368757      0             -4.3368757      3.5241071e-10  17.820115    
        93   0             -4.3368757      0             -4.3368757     -2.4404445e-10  17.820115    
        94   0             -4.3368757      0             -4.3368757      3.6571971e-10  17.820115    
        95   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
        96   0             -4.3368757      0             -4.3368757      8.7878145e-11  17.820115    
        97   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
        98   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
        99   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
       100   0             -4.3368757      0             -4.3368757     -2.0411736e-10  17.820115    
       101   0             -4.3368757      0             -4.3368757      1.0119245e-10  17.820115    
       102   0             -4.3368757      0             -4.3368757     -2.3073534e-10  17.820115    
       103   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
       104   0             -4.3368757      0             -4.3368757     -2.3072585e-10  17.820115    
       105   0             -4.3368757      0             -4.3368757      7.4569041e-11  17.820115    
       106   0             -4.3368757      0             -4.3368757      1.0117407e-10  17.820115    
       107   0             -4.3368757      0             -4.3368757      1.0117407e-10  17.820115    
       108   0             -4.3368757      0             -4.3368757     -2.5733101e-10  17.820115    
       109   0             -4.3368757      0             -4.3368757      3.524106e-10   17.820115    
       110   0             -4.3368757      0             -4.3368757     -2.3072585e-10  17.820115    
       111   0             -4.3368757      0             -4.3368757      3.257925e-10   17.820115    
       112   0             -4.3368757      0             -4.3368757     -5.7677208e-10  17.820115    
       113   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
       114   0             -4.3368757      0             -4.3368757      3.257925e-10   17.820115    
       115   0             -4.3368757      0             -4.3368757     -3.3639329e-10  17.820115    
       116   0             -4.3368757      0             -4.3368757      8.7865072e-11  17.820115    
       117   0             -4.3368757      0             -4.3368757      7.4569041e-11  17.820115    
       118   0             -4.3368757      0             -4.3368757      8.7878018e-11  17.820115    
       119   0             -4.3368757      0             -4.3368757     -2.0410764e-10  17.820115    
       120   0             -4.3368757      0             -4.3368757      3.257925e-10   17.820115    
       121   0             -4.3368757      0             -4.3368757     -5.6346298e-10  17.820115    
       122   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
       123   0             -4.3368757      0             -4.3368757      8.7865072e-11  17.820115    
       124   0             -4.3368757      0             -4.3368757     -5.5015385e-10  17.820115    
       125   0             -4.3368757      0             -4.3368757      3.257925e-10   17.820115    
       126   0             -4.3368757      0             -4.3368757      1.1449623e-10  17.820115    
       127   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
       128   0             -4.3368757      0             -4.3368757      1.0118725e-10  17.820115    
       129   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
       130   0             -4.3368757      0             -4.3368757      3.5240421e-10  17.820115    
       131   0             -4.3368757      0             -4.3368757     -1.6419008e-10  17.820115    
       132   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
       133   0             -4.3368757      0             -4.3368757      8.7883349e-11  17.820115    
       134   0             -4.3368757      0             -4.3368757      3.391015e-10   17.820115    
       135   0             -4.3368757      0             -4.3368757      3.391016e-10   17.820115    
       136   0             -4.3368757      0             -4.3368757     -5.5015385e-10  17.820115    
       137   0             -4.3368757      0             -4.3368757      3.257925e-10   17.820115    
       138   0             -4.3368757      0             -4.3368757      1.0118725e-10  17.820115    
       139   0             -4.3368757      0             -4.3368757     -1.9079854e-10  17.820115    
       140   0             -4.3368757      0             -4.3368757      1.0118725e-10  17.820115    
       141   0             -4.3368757      0             -4.3368757      1.2779228e-10  17.820115    
       142   0             -4.3368757      0             -4.3368757     -1.9079854e-10  17.820115    
       143   0             -4.3368757      0             -4.3368757      1.1448328e-10  17.820115    
       144   0             -4.3368757      0             -4.3368757      1.1449623e-10  17.820115    
       145   0             -4.3368757      0             -4.3368757      1.1449623e-10  17.820115    
       146   0             -4.3368757      0             -4.3368757     -1.9079854e-10  17.820115    
       147   0             -4.3368757      0             -4.3368757      1.1449623e-10  17.820115    
       148   0             -4.3368757      0             -4.3368757     -1.9079854e-10  17.820115    
       149   0             -4.3368757      0             -4.3368757      1.2779228e-10  17.820115    
       150   0             -4.3368757      0             -4.3368757     -2.174037e-10   17.820115    
       151   0             -4.3368757      0             -4.3368757      3.6571331e-10  17.820115    
       152   0             -4.3368757      0             -4.3368757      1.1448328e-10  17.820115    
       153   0             -4.3368757      0             -4.3368757     -2.1742627e-10  17.820115    
       154   0             -4.3368757      0             -4.3368757      1.1449623e-10  17.820115    
       155   0             -4.3368757      0             -4.3368757      1.2780416e-10  17.820115    
       156   0             -4.3368757      0             -4.3368757      1.1448318e-10  17.820115    
       157   0             -4.3368757      0             -4.3368757     -1.7749918e-10  17.820115    
       158   0             -4.3368757      0             -4.3368757     -1.7749918e-10  17.820115    
       159   0             -4.3368757      0             -4.3368757      1.1449506e-10  17.820115    
       160   0             -4.3368757      0             -4.3368757     -1.7749918e-10  17.820115    
       161   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       162   0             -4.3368757      0             -4.3368757     -5.5015385e-10  17.820115    
       163   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       164   0             -4.3368757      0             -4.3368757     -1.7749918e-10  17.820115    
       165   0             -4.3368757      0             -4.3368757     -1.7749918e-10  17.820115    
       166   0             -4.3368757      0             -4.3368757      1.1449506e-10  17.820115    
       167   0             -4.3368757      0             -4.3368757     -1.9080829e-10  17.820115    
       168   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       169   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
       170   0             -4.3368757      0             -4.3368757      1.1449623e-10  17.820115    
       171   0             -4.3368757      0             -4.3368757     -2.1741675e-10  17.820115    
       172   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       173   0             -4.3368757      0             -4.3368757     -1.9080829e-10  17.820115    
       174   0             -4.3368757      0             -4.3368757      1.1449506e-10  17.820115    
       175   0             -4.3368757      0             -4.3368757     -1.9080829e-10  17.820115    
       176   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       177   0             -4.3368757      0             -4.3368757     -5.6346295e-10  17.820115    
       178   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       179   0             -4.3368757      0             -4.3368757      1.0117407e-10  17.820115    
       180   0             -4.3368757      0             -4.3368757     -2.307128e-10   17.820115    
       181   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       182   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       183   0             -4.3368757      0             -4.3368757     -5.6346295e-10  17.820115    
       184   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       185   0             -4.3368757      0             -4.3368757      1.0117407e-10  17.820115    
       186   0             -4.3368757      0             -4.3368757     -2.4402191e-10  17.820115    
       187   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       188   0             -4.3368757      0             -4.3368757      3.5240411e-10  17.820115    
       189   0             -4.3368757      0             -4.3368757     -5.6346295e-10  17.820115    
       190   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
       191   0             -4.3368757      0             -4.3368757      1.0117407e-10  17.820115    
       192   0             -4.3368757      0             -4.3368757     -2.4402191e-10  17.820115    
       193   0             -4.3368757      0             -4.3368757      3.5240411e-10  17.820115    
       194   0             -4.3368757      0             -4.3368757      3.5240411e-10  17.820115    
       195   0             -4.3368757      0             -4.3368757     -5.6346295e-10  17.820115    
       196   0             -4.3368757      0             -4.3368757      3.6571321e-10  17.820115    
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      1933   0             -4.3368757      0             -4.3368757      1.1446325e-10  17.820115    
      1934   0             -4.3368757      0             -4.3368757      3.390946e-10   17.820115    
      1935   0             -4.3368757      0             -4.3368757      1.2780355e-10  17.820115    
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      1938   0             -4.3368757      0             -4.3368757      1.5442829e-10  17.820115    
      1939   0             -4.3368757      0             -4.3368757     -2.0413716e-10  17.820115    
      1940   0             -4.3368757      0             -4.3368757      3.6571928e-10  17.820115    
      1941   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1942   0             -4.3368757      0             -4.3368757      3.6571928e-10  17.820115    
      1943   0             -4.3368757      0             -4.3368757     -2.0413716e-10  17.820115    
      1944   0             -4.3368757      0             -4.3368757      3.6571928e-10  17.820115    
      1945   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1946   0             -4.3368757      0             -4.3368757      3.6571928e-10  17.820115    
      1947   0             -4.3368757      0             -4.3368757      1.0115415e-10  17.820115    
      1948   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1949   0             -4.3368757      0             -4.3368757      3.6571928e-10  17.820115    
      1950   0             -4.3368757      0             -4.3368757     -2.0413716e-10  17.820115    
      1951   0             -4.3368757      0             -4.3368757      1.5442829e-10  17.820115    
      1952   0             -4.3368757      0             -4.3368757     -2.0413716e-10  17.820115    
      1953   0             -4.3368757      0             -4.3368757      3.5241017e-10  17.820115    
      1954   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1955   0             -4.3368757      0             -4.3368757      3.6571928e-10  17.820115    
      1956   0             -4.3368757      0             -4.3368757      8.7845043e-11  17.820115    
      1957   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1958   0             -4.3368757      0             -4.3368757      3.5241017e-10  17.820115    
      1959   0             -4.3368757      0             -4.3368757      7.4549012e-11  17.820115    
      1960   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1961   0             -4.3368757      0             -4.3368757      3.5241017e-10  17.820115    
      1962   0             -4.3368757      0             -4.3368757      8.7845043e-11  17.820115    
      1963   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1964   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      1965   0             -4.3368757      0             -4.3368757     -2.0413716e-10  17.820115    
      1966   0             -4.3368757      0             -4.3368757      1.2781008e-10  17.820115    
      1967   0             -4.3368757      0             -4.3368757     -2.0413716e-10  17.820115    
      1968   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      1969   0             -4.3368757      0             -4.3368757     -1.9081849e-10  17.820115    
      1970   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1971   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      1972   0             -4.3368757      0             -4.3368757      3.6571928e-10  17.820115    
      1973   0             -4.3368757      0             -4.3368757      8.7845043e-11  17.820115    
      1974   0             -4.3368757      0             -4.3368757     -2.1742383e-10  17.820115    
      1975   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      1976   0             -4.3368757      0             -4.3368757      8.7845043e-11  17.820115    
      1977   0             -4.3368757      0             -4.3368757      8.7845043e-11  17.820115    
      1978   0             -4.3368757      0             -4.3368757      6.1239908e-11  17.820115    
      1979   0             -4.3368757      0             -4.3368757     -1.9081849e-10  17.820115    
      1980   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      1981   0             -4.3368757      0             -4.3368757     -5.6348298e-10  17.820115    
      1982   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      1983   0             -4.3368757      0             -4.3368757     -2.0413716e-10  17.820115    
      1984   0             -4.3368757      0             -4.3368757      3.6571918e-10  17.820115    
      1985   0             -4.3368757      0             -4.3368757     -1.9081849e-10  17.820115    
      1986   0             -4.3368757      0             -4.3368757      7.4549012e-11  17.820115    
      1987   0             -4.3368757      0             -4.3368757     -2.0412759e-10  17.820115    
      1988   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      1989   0             -4.3368757      0             -4.3368757     -5.6348298e-10  17.820115    
      1990   0             -4.3368757      0             -4.3368757      3.5241017e-10  17.820115    
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      1993   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      1994   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      1995   0             -4.3368757      0             -4.3368757     -2.1744627e-10  17.820115    
      1996   0             -4.3368757      0             -4.3368757      1.2781008e-10  17.820115    
      1997   0             -4.3368757      0             -4.3368757      7.4535939e-11  17.820115    
      1998   0             -4.3368757      0             -4.3368757      1.2778533e-10  17.820115    
      1999   0             -4.3368757      0             -4.3368757      1.2778533e-10  17.820115    
      2000   0             -4.3368757      0             -4.3368757     -5.6348298e-10  17.820115    
      2001   0             -4.3368757      0             -4.3368757     -2.174367e-10   17.820115    
      2002   0             -4.3368757      0             -4.3368757      1.011541e-10   17.820115    
      2003   0             -4.3368757      0             -4.3368757      1.2778533e-10  17.820115    
      2004   0             -4.3368757      0             -4.3368757     -2.0412759e-10  17.820115    
      2005   0             -4.3368757      0             -4.3368757      6.1239908e-11  17.820115    
      2006   0             -4.3368757      0             -4.3368757     -2.0412759e-10  17.820115    
      2007   0             -4.3368757      0             -4.3368757      3.3910107e-10  17.820115    
      2008   0             -4.3368757      0             -4.3368757     -2.174367e-10   17.820115    
      2009   0             -4.3368757      0             -4.3368757      6.1239908e-11  17.820115    
      2010   0             -4.3368757      0             -4.3368757      1.011541e-10   17.820115    
      2011   0             -4.3368757      0             -4.3368757      1.011541e-10   17.820115    
      2012   0             -4.3368757      0             -4.3368757      1.0119187e-10  17.820115    
      2013   0             -4.3368757      0             -4.3368757     -2.1742383e-10  17.820115    
      2014   0             -4.3368757      0             -4.3368757     -2.0411472e-10  17.820115    
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      2027   0             -4.3368757      0             -4.3368757      1.1446318e-10  17.820115    
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      2030   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      2031   0             -4.3368757      0             -4.3368757      3.1248286e-10  17.820115    
      2032   0             -4.3368757      0             -4.3368757      1.1447622e-10  17.820115    
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      2044   0             -4.3368757      0             -4.3368757      8.7858117e-11  17.820115    
      2045   0             -4.3368757      0             -4.3368757      3.3910104e-10  17.820115    
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      2060   0             -4.3368757      0             -4.3368757      3.6572575e-10  17.820115    
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      2062   0             -4.3368757      0             -4.3368757     -5.5017387e-10  17.820115    
      2063   0             -4.3368757      0             -4.3368757      3.6572575e-10  17.820115    
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      4122   0             -4.3368757      0             -4.3368757     -1.6421044e-10  17.820115    
      4123   0             -4.3368757      0             -4.3368757      3.3910069e-10  17.820115    
      4124   0             -4.3368757      0             -4.3368757     -1.7751954e-10  17.820115    
      4125   0             -4.3368757      0             -4.3368757     -1.7751954e-10  17.820115    
      4126   0             -4.3368757      0             -4.3368757      1.0119146e-10  17.820115    
      4127   0             -4.3368757      0             -4.3368757     -2.0413765e-10  17.820115    
      4128   0             -4.3368757      0             -4.3368757      3.9234338e-10  17.820115    
      4129   0             -4.3368757      0             -4.3368757     -5.7679251e-10  17.820115    
      4130   0             -4.3368757      0             -4.3368757      3.5240979e-10  17.820115    
      4131   0             -4.3368757      0             -4.3368757      1.1446279e-10  17.820115    
      4132   0             -4.3368757      0             -4.3368757     -2.1742406e-10  17.820115    
      4133   0             -4.3368757      0             -4.3368757      1.1446279e-10  17.820115    
      4134   0             -4.3368757      0             -4.3368757     -2.1742406e-10  17.820115    
      4135   0             -4.3368757      0             -4.3368757      1.277719e-10   17.820115    
      4136   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4137   0             -4.3368757      0             -4.3368757     -2.1742406e-10  17.820115    
      4138   0             -4.3368757      0             -4.3368757      1.278162e-10   17.820115    
      4139   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4140   0             -4.3368757      0             -4.3368757     -5.9010162e-10  17.820115    
      4141   0             -4.3368757      0             -4.3368757     -5.9010162e-10  17.820115    
      4142   0             -4.3368757      0             -4.3368757      3.9234338e-10  17.820115    
      4143   0             -4.3368757      0             -4.3368757     -2.3073316e-10  17.820115    
      4144   0             -4.3368757      0             -4.3368757     -5.7679251e-10  17.820115    
      4145   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4146   0             -4.3368757      0             -4.3368757     -2.4404227e-10  17.820115    
      4147   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4148   0             -4.3368757      0             -4.3368757     -2.1742406e-10  17.820115    
      4149   0             -4.3368757      0             -4.3368757      3.7903427e-10  17.820115    
      4150   0             -4.3368757      0             -4.3368757      3.7903427e-10  17.820115    
      4151   0             -4.3368757      0             -4.3368757     -1.9082864e-10  17.820115    
      4152   0             -4.3368757      0             -4.3368757      1.1450709e-10  17.820115    
      4153   0             -4.3368757      0             -4.3368757     -1.9082864e-10  17.820115    
      4154   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4155   0             -4.3368757      0             -4.3368757      1.278162e-10   17.820115    
      4156   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4157   0             -4.3368757      0             -4.3368757     -1.9082864e-10  17.820115    
      4158   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4159   0             -4.3368757      0             -4.3368757     -5.7679251e-10  17.820115    
      4160   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4161   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4162   0             -4.3368757      0             -4.3368757     -2.4404227e-10  17.820115    
      4163   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4164   0             -4.3368757      0             -4.3368757     -2.4404227e-10  17.820115    
      4165   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4166   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4167   0             -4.3368757      0             -4.3368757     -2.0412798e-10  17.820115    
      4168   0             -4.3368757      0             -4.3368757      8.7857533e-11  17.820115    
      4169   0             -4.3368757      0             -4.3368757      8.7844586e-11  17.820115    
      4170   0             -4.3368757      0             -4.3368757     -2.0412798e-10  17.820115    
      4171   0             -4.3368757      0             -4.3368757     -2.1742406e-10  17.820115    
      4172   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4173   0             -4.3368757      0             -4.3368757      3.5241606e-10  17.820115    
      4174   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4175   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4176   0             -4.3368757      0             -4.3368757      8.7844586e-11  17.820115    
      4177   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4178   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4179   0             -4.3368757      0             -4.3368757      3.5241606e-10  17.820115    
      4180   0             -4.3368757      0             -4.3368757     -5.6348339e-10  17.820115    
      4181   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4182   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4183   0             -4.3368757      0             -4.3368757     -2.0412798e-10  17.820115    
      4184   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4185   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4186   0             -4.3368757      0             -4.3368757      7.4535482e-11  17.820115    
      4187   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4188   0             -4.3368757      0             -4.3368757      8.7844586e-11  17.820115    
      4189   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4190   0             -4.3368757      0             -4.3368757      1.0119799e-10  17.820115    
      4191   0             -4.3368757      0             -4.3368757     -1.9082867e-10  17.820115    
      4192   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4193   0             -4.3368757      0             -4.3368757     -2.0412798e-10  17.820115    
      4194   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4195   0             -4.3368757      0             -4.3368757     -2.0412798e-10  17.820115    
      4196   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4197   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4198   0             -4.3368757      0             -4.3368757     -1.9082867e-10  17.820115    
      4199   0             -4.3368757      0             -4.3368757     -1.9082867e-10  17.820115    
      4200   0             -4.3368757      0             -4.3368757      1.1450709e-10  17.820115    
      4201   0             -4.3368757      0             -4.3368757     -2.0413777e-10  17.820115    
      4202   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4203   0             -4.3368757      0             -4.3368757     -5.6348339e-10  17.820115    
      4204   0             -4.3368757      0             -4.3368757      3.7903427e-10  17.820115    
      4205   0             -4.3368757      0             -4.3368757      8.7857533e-11  17.820115    
      4206   0             -4.3368757      0             -4.3368757     -1.9081887e-10  17.820115    
      4207   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4208   0             -4.3368757      0             -4.3368757      7.4548428e-11  17.820115    
      4209   0             -4.3368757      0             -4.3368757     -2.0412798e-10  17.820115    
      4210   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4211   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4212   0             -4.3368757      0             -4.3368757      7.4548428e-11  17.820115    
      4213   0             -4.3368757      0             -4.3368757     -5.6348339e-10  17.820115    
      4214   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4215   0             -4.3368757      0             -4.3368757      1.277719e-10   17.820115    
      4216   0             -4.3368757      0             -4.3368757     -5.6348339e-10  17.820115    
      4217   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4218   0             -4.3368757      0             -4.3368757     -2.4404227e-10  17.820115    
      4219   0             -4.3368757      0             -4.3368757      1.277719e-10   17.820115    
      4220   0             -4.3368757      0             -4.3368757      7.4548428e-11  17.820115    
      4221   0             -4.3368757      0             -4.3368757      7.4548428e-11  17.820115    
      4222   0             -4.3368757      0             -4.3368757     -1.9081887e-10  17.820115    
      4223   0             -4.3368757      0             -4.3368757      3.5241606e-10  17.820115    
      4224   0             -4.3368757      0             -4.3368757     -5.5017428e-10  17.820115    
      4225   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4226   0             -4.3368757      0             -4.3368757     -1.7751957e-10  17.820115    
      4227   0             -4.3368757      0             -4.3368757     -1.7751957e-10  17.820115    
      4228   0             -4.3368757      0             -4.3368757      1.1450709e-10  17.820115    
      4229   0             -4.3368757      0             -4.3368757     -1.9082867e-10  17.820115    
      4230   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4231   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4232   0             -4.3368757      0             -4.3368757     -5.7679249e-10  17.820115    
      4233   0             -4.3368757      0             -4.3368757     -5.6348339e-10  17.820115    
      4234   0             -4.3368757      0             -4.3368757      3.6572517e-10  17.820115    
      4235   0             -4.3368757      0             -4.3368757      3.7902777e-10  17.820115    
      4236   0             -4.3368757      0             -4.3368757     -5.7679249e-10  17.820115    
      4237   0             -4.3368757      0             -4.3368757      3.7902777e-10  17.820115    
      4238   0             -4.3368757      0             -4.3368757     -1.9082867e-10  17.820115    
      4239   0             -4.3368757      0             -4.3368757     -1.9082867e-10  17.820115    
      4240   0             -4.3368757      0             -4.3368757      1.411188e-10   17.820115    
      4241   0             -4.3368757      0             -4.3368757     -1.9082867e-10  17.820115    
      4242   0             -4.3368757      0             -4.3368757      1.1446279e-10  17.820115    
      4243   0             -4.3368757      0             -4.3368757      1.0119799e-10  17.820115    
      4244   0             -4.3368757      0             -4.3368757     -1.9082867e-10  17.820115    
      4245   0             -4.3368757      0             -4.3368757      3.9233688e-10  17.820115    
      4246   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4247   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4248   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4249   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4250   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4251   0             -4.3368757      0             -4.3368757      1.0115369e-10  17.820115    
      4252   0             -4.3368757      0             -4.3368757      1.0116664e-10  17.820115    
      4253   0             -4.3368757      0             -4.3368757      1.1446279e-10  17.820115    
      4254   0             -4.3368757      0             -4.3368757      1.1450059e-10  17.820115    
      4255   0             -4.3368757      0             -4.3368757     -2.1742406e-10  17.820115    
      4256   0             -4.3368757      0             -4.3368757      7.4548428e-11  17.820115    
      4257   0             -4.3368757      0             -4.3368757     -2.1743708e-10  17.820115    
      4258   0             -4.3368757      0             -4.3368757      8.7844586e-11  17.820115    
      4259   0             -4.3368757      0             -4.3368757      8.7844586e-11  17.820115    
Loop time of 0.402665 on 4 procs for 4259 steps with 1 atoms

97.6% CPU use with 4 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = quadratic factors are zero
  Energy initial, next-to-last, final = 
     -4.33687572290858  -4.33687572774504  -4.33687572774504
  Force two-norm initial, final = 0.00080661032 5.9264807e-15
  Force max component initial, final = 0.00046569669 3.9192579e-15
  Final line search alpha, max atom move = 1 3.9192579e-15
  Iterations, force evaluations = 4259 8518

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.12945    | 0.13161    | 0.13583    |   0.7 | 32.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.083513   | 0.098512   | 0.11322    |   4.3 | 24.47
Output  | 0.032878   | 0.03501    | 0.041178   |   1.9 |  8.69
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.1375     |            |       | 34.16

Nlocal:           0.25 ave           1 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost:         149.75 ave         150 max         149 min
Histogram: 1 0 0 0 0 0 0 0 0 3
Neighs:             10 ave          40 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
FullNghs:           20 ave          80 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0

variable        cohesive_energy equal pe/atoms
variable        atmVol equal vol/atoms
variable        aLatt equal (vol/atoms)^0.3333333333

run                     0
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:966)
Per MPI rank memory allocation (min/avg/max) = 3.774 | 3.774 | 3.774 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
      4259   0             -4.3368757      0             -4.3368757      4.121405e-10   17.820115    
Loop time of 3.46025e-06 on 4 procs for 0 steps with 1 atoms

101.1% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 3.46e-06   |            |       |100.00

Nlocal:           0.25 ave           1 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost:         149.75 ave         150 max         149 min
Histogram: 1 0 0 0 0 0 0 0 0 3
Neighs:             10 ave          40 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
FullNghs:           20 ave          80 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1

Total # of neighbors = 80
Ave neighs/atom = 80
Neighbor list builds = 0
Dangerous builds = 0

print           "===================================================="
====================================================
print           "Calculated cohesive energy: ${cohesive_energy} eV/atom"
Calculated cohesive energy: -4.33687572774504 eV/atom
print           "Reference cohesive energy:  -4.337 eV/atom"
Reference cohesive energy:  -4.337 eV/atom
print           "Atomic volume               ${atmVol} A^3"
Atomic volume               17.8201147853823 A^3
print           "Lattice constant            ${aLatt} A"
Lattice constant            2.61198191533279 A
print           "Reference lattice constant  2.612 A"
Reference lattice constant  2.612 A
print           "===================================================="
====================================================


#dump           1 all custom 1 fcc.dump id type x y z fx fy fz
#run            0


Total wall time: 0:00:00
